#------------------------------------------------------------------------------
#$Date: 2021-06-05 20:54:32 +0300 (Sat, 05 Jun 2021) $
#$Revision: 265915 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/56/12/1561227.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_1561227
loop_
_publ_author_name
'Chapple, Peter M.'
'Cartron, Julien'
'Hamdoun, Ghanem'
'Kahlal, Samia'
'Cordier, Marie'
'Oulyadi, Hassan'
'Carpentier, Jean-François'
'Saillard, Jean-Yves'
'Sarazin, Yann'
_publ_section_title
;
 Metal--metal bonded alkaline-earth distannyls
;
_journal_issue                   20
_journal_name_full               'Chemical Science'
_journal_page_first              7098
_journal_page_last               7114
_journal_paper_doi               10.1039/D1SC00436K
_journal_volume                  12
_journal_year                    2021
_chemical_compound_source        'synthesis as described'
_chemical_formula_moiety         'C34 H86 O4 Si6 Sn2 Sr'
_chemical_formula_sum            'C34 H86 O4 Si6 Sn2 Sr'
_chemical_formula_weight         1052.56
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   difmap
_audit_update_record
;
2020-12-18 deposited with the CCDC.	2021-03-22 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 93.183(4)
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   40.215(5)
_cell_length_b                   13.1722(17)
_cell_length_c                   20.520(3)
_cell_measurement_reflns_used    9435
_cell_measurement_temperature    150
_cell_measurement_theta_max      27.5327
_cell_measurement_theta_min      2.1693
_cell_measurement_wavelength     0.710730
_cell_volume                     10853(3)
_computing_cell_refinement       'APEX3 (Bruker, 2015)'
_computing_data_collection       'SAINT (Bruker, 2014)'
_computing_data_reduction        'SAINT (Bruker, 2014)'
_computing_molecular_graphics
'PLATON, A.L.Spek, Acta Cryst. 2009, D65, 148-155'
_computing_publication_material
'CRYSCALC (T. Roisnel, local program, ver. 2020)'
_computing_structure_refinement  'SHELXL-2018_3 (Sheldrick, 2018)'
_computing_structure_solution    'SHELXT (G. Sheldrick, 2015)'
_diffrn_ambient_temperature      150
_diffrn_detector                 '(CMOS) PHOTON 100'
_diffrn_detector_area_resol_mean 10.4167
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.988
_diffrn_measurement_device_type  'D8 VENTURE Bruker AXS'
_diffrn_measurement_method       'rotation images'
_diffrn_orient_matrix_UB_11      0.0120980
_diffrn_orient_matrix_UB_12      0.0611884
_diffrn_orient_matrix_UB_13      -0.0130240
_diffrn_orient_matrix_UB_21      -0.0402296
_diffrn_orient_matrix_UB_22      -0.0088149
_diffrn_orient_matrix_UB_23      -0.0149203
_diffrn_orient_matrix_UB_31      -0.0248467
_diffrn_orient_matrix_UB_32      0.0440655
_diffrn_orient_matrix_UB_33      0.0151002
_diffrn_radiation_monochromator  'multilayer monochromator'
_diffrn_radiation_probe          x-ray
_diffrn_radiation_source         'Incoatec microfocus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0621
_diffrn_reflns_av_unetI/netI     0.0596
_diffrn_reflns_limit_h_max       52
_diffrn_reflns_limit_h_min       -52
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            93812
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.617
_diffrn_reflns_theta_min         2.169
_diffrn_source_current           1.0
_diffrn_source_voltage           50.0
_exptl_absorpt_coefficient_mu    2.053
_exptl_absorpt_correction_T_max  0.563
_exptl_absorpt_correction_T_min  0.459
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
  [Sheldrick, G.M. (2014). SADABS Bruker AXS Inc., Madison, Wisconsin, USA]
;
_exptl_crystal_density_diffrn    1.288
_exptl_crystal_description       prism
_exptl_crystal_F_000             4352
_exptl_crystal_size_max          0.440
_exptl_crystal_size_mid          0.420
_exptl_crystal_size_min          0.280
_refine_diff_density_max         2.319
_refine_diff_density_min         -2.108
_refine_diff_density_rms         0.201
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.017
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     788
_refine_ls_number_reflns         24932
_refine_ls_number_restraints     2
_refine_ls_restrained_S_all      1.017
_refine_ls_R_factor_all          0.0901
_refine_ls_R_factor_gt           0.0812
_refine_ls_shift/su_max          0.007
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.1747P)²+98.2152P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2469
_refine_ls_wR_factor_ref         0.2585
_reflns_Friedel_coverage         0.000
_reflns_number_gt                22195
_reflns_number_total             24932
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            d1sc00436k3.cif
_cod_data_source_block           PC04156x2
_cod_depositor_comments
'Adding full bibliography for 1561223--1561228.cif.'
_cod_original_cell_volume        10853(2)
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               1561227
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Sr1 Sr 0.37576(2) 0.47605(7) 0.25484(4) 0.02458(18) Uani 1 1 d . . . . .
Sn1 Sn 0.41569(2) 0.66648(5) 0.17326(3) 0.02693(15) Uani 1 1 d . . . . .
Si1 Si 0.37875(11) 0.7999(3) 0.1102(2) 0.0496(8) Uani 1 1 d . . . . .
C1 C 0.3565(4) 0.8931(10) 0.1625(7) 0.0496(8) Uani 1 1 d . . . . .
H1A H 0.372881 0.929433 0.190989 0.074 Uiso 1 1 calc R U . . .
H1B H 0.341060 0.856330 0.189315 0.074 Uiso 1 1 calc R U . . .
H1C H 0.344095 0.941737 0.134498 0.074 Uiso 1 1 calc R U . . .
C2 C 0.4001(4) 0.8794(10) 0.0506(7) 0.0496(8) Uani 1 1 d . . . . .
H2A H 0.383891 0.925001 0.028282 0.074 Uiso 1 1 calc R U . . .
H2B H 0.410078 0.835595 0.018376 0.074 Uiso 1 1 calc R U . . .
H2C H 0.417562 0.919696 0.073534 0.074 Uiso 1 1 calc R U . . .
C3 C 0.3423(4) 0.7309(10) 0.0597(7) 0.0496(8) Uani 1 1 d . . . . .
H3A H 0.327963 0.781657 0.037276 0.074 Uiso 1 1 calc R U . . .
H3B H 0.329158 0.690898 0.089199 0.074 Uiso 1 1 calc R U . . .
H3C H 0.351644 0.685899 0.027335 0.074 Uiso 1 1 calc R U . . .
Si2 Si 0.45729(8) 0.6344(2) 0.08350(17) 0.0367(7) Uani 1 1 d . . . . .
C4 C 0.4823(4) 0.7492(13) 0.0569(8) 0.059(4) Uani 1 1 d . . . . .
H4A H 0.496061 0.774893 0.094230 0.089 Uiso 1 1 calc R U . . .
H4B H 0.467006 0.802531 0.040718 0.089 Uiso 1 1 calc R U . . .
H4C H 0.496678 0.728884 0.022128 0.089 Uiso 1 1 calc R U . . .
C5 C 0.4891(4) 0.5361(13) 0.1081(10) 0.068(5) Uani 1 1 d . . . . .
H5A H 0.477888 0.474143 0.121612 0.102 Uiso 1 1 calc R U . . .
H5B H 0.503512 0.561740 0.144559 0.102 Uiso 1 1 calc R U . . .
H5C H 0.502649 0.520838 0.071050 0.102 Uiso 1 1 calc R U . . .
C6 C 0.4352(5) 0.5853(13) 0.0063(7) 0.065(4) Uani 1 1 d . . . . .
H6A H 0.451738 0.561377 -0.023611 0.097 Uiso 1 1 calc R U . . .
H6B H 0.422017 0.640045 -0.014592 0.097 Uiso 1 1 calc R U . . .
H6C H 0.420544 0.529095 0.016893 0.097 Uiso 1 1 calc R U . . .
Si3 Si 0.45429(10) 0.7832(2) 0.24558(18) 0.0422(8) Uani 1 1 d . . . . .
C7 C 0.4559(4) 0.9199(10) 0.2178(9) 0.059(4) Uani 1 1 d . . . . .
H7A H 0.471378 0.957976 0.247139 0.089 Uiso 1 1 calc R U . . .
H7B H 0.433601 0.949970 0.218709 0.089 Uiso 1 1 calc R U . . .
H7C H 0.463430 0.922657 0.173293 0.089 Uiso 1 1 calc R U . . .
C8 C 0.4413(6) 0.7873(15) 0.3320(8) 0.083(6) Uani 1 1 d . . . . .
H8A H 0.441323 0.718358 0.349941 0.124 Uiso 1 1 calc R U . . .
H8B H 0.418889 0.816184 0.332944 0.124 Uiso 1 1 calc R U . . .
H8C H 0.456982 0.829591 0.358355 0.124 Uiso 1 1 calc R U . . .
C9 C 0.4982(4) 0.7356(13) 0.2496(11) 0.078(6) Uani 1 1 d . . . . .
H9A H 0.505744 0.728053 0.205273 0.118 Uiso 1 1 calc R U . . .
H9B H 0.499244 0.669742 0.271791 0.118 Uiso 1 1 calc R U . . .
H9C H 0.512598 0.784208 0.273863 0.118 Uiso 1 1 calc R U . . .
Sn2 Sn 0.33578(2) 0.28779(5) 0.33782(3) 0.02749(16) Uani 1 1 d . . . . .
Si4 Si 0.37155(8) 0.1376(3) 0.38224(19) 0.0450(8) Uani 1 1 d . . . . .
C10 C 0.3529(4) 0.0649(14) 0.4505(9) 0.068(5) Uani 1 1 d . . . . .
H10A H 0.370154 0.023298 0.472991 0.103 Uiso 1 1 calc R U . . .
H10B H 0.335000 0.020986 0.432447 0.103 Uiso 1 1 calc R U . . .
H10C H 0.343827 0.112779 0.481488 0.103 Uiso 1 1 calc R U . . .
C11 C 0.4140(4) 0.1784(17) 0.4109(12) 0.090(7) Uani 1 1 d . . . . .
H11A H 0.412893 0.216748 0.451617 0.135 Uiso 1 1 calc R U . . .
H11B H 0.423503 0.221417 0.377659 0.135 Uiso 1 1 calc R U . . .
H11C H 0.428171 0.118449 0.418540 0.135 Uiso 1 1 calc R U . . .
C12 C 0.3796(6) 0.0393(13) 0.3166(11) 0.089(7) Uani 1 1 d . . . . .
H12A H 0.395296 0.067053 0.286417 0.133 Uiso 1 1 calc R U . . .
H12B H 0.358565 0.022592 0.292518 0.133 Uiso 1 1 calc R U . . .
H12C H 0.388995 -0.022212 0.337177 0.133 Uiso 1 1 calc R U . . .
Si5 Si 0.31015(9) 0.3404(3) 0.44536(17) 0.0440(8) Uani 1 1 d . . . . .
C13 C 0.3429(4) 0.3487(15) 0.5157(7) 0.064(4) Uani 1 1 d . . . . .
H13A H 0.341443 0.415182 0.536883 0.096 Uiso 1 1 calc R U . . .
H13B H 0.365051 0.340230 0.499038 0.096 Uiso 1 1 calc R U . . .
H13C H 0.338928 0.295121 0.547487 0.096 Uiso 1 1 calc R U . . .
C14 C 0.2900(7) 0.4713(18) 0.4347(13) 0.116(10) Uani 1 1 d . . . . .
H14A H 0.279656 0.477229 0.390497 0.174 Uiso 1 1 calc R U . . .
H14B H 0.307052 0.523962 0.441525 0.174 Uiso 1 1 calc R U . . .
H14C H 0.272976 0.479742 0.466637 0.174 Uiso 1 1 calc R U . . .
C15 C 0.2769(4) 0.252(2) 0.4740(9) 0.092(7) Uani 1 1 d . . . . .
H15A H 0.287235 0.188040 0.489183 0.139 Uiso 1 1 calc R U . . .
H15B H 0.260668 0.237748 0.437696 0.139 Uiso 1 1 calc R U . . .
H15C H 0.265612 0.283622 0.509798 0.139 Uiso 1 1 calc R U . . .
Si6 Si 0.28747(9) 0.1801(2) 0.28479(19) 0.0410(7) Uani 1 1 d . . . . .
C16 C 0.2468(3) 0.2516(13) 0.2787(8) 0.055(3) Uani 1 1 d . . . . .
H16A H 0.248029 0.306090 0.246397 0.082 Uiso 1 1 calc R U . . .
H16B H 0.242423 0.280792 0.321272 0.082 Uiso 1 1 calc R U . . .
H16C H 0.228684 0.204938 0.265110 0.082 Uiso 1 1 calc R U . . .
C17 C 0.2779(5) 0.0568(11) 0.3268(12) 0.083(7) Uani 1 1 d . . . . .
H17A H 0.273398 0.070279 0.372402 0.125 Uiso 1 1 calc R U . . .
H17B H 0.297060 0.010988 0.325076 0.125 Uiso 1 1 calc R U . . .
H17C H 0.258352 0.025095 0.304628 0.125 Uiso 1 1 calc R U . . .
C18 C 0.2973(5) 0.1483(17) 0.1988(10) 0.083(6) Uani 1 1 d . . . . .
H18A H 0.279544 0.105456 0.178893 0.124 Uiso 1 1 calc R U . . .
H18B H 0.318513 0.111721 0.198991 0.124 Uiso 1 1 calc R U . . .
H18C H 0.298900 0.211008 0.173462 0.124 Uiso 1 1 calc R U . . .
O1 O 0.4001(2) 0.3423(6) 0.1827(4) 0.044(2) Uani 1 1 d . . . . .
C19 C 0.4115(5) 0.3557(15) 0.1174(10) 0.077(3) Uani 1 1 d . . . . .
H19A H 0.425313 0.417666 0.114762 0.092 Uiso 1 1 calc R U . . .
H19B H 0.392416 0.360796 0.084953 0.092 Uiso 1 1 calc R U . . .
C20 C 0.4314(5) 0.2638(15) 0.1060(10) 0.077(3) Uani 1 1 d . . . . .
H20A H 0.455367 0.277106 0.116490 0.092 Uiso 1 1 calc R U . . .
H20B H 0.428564 0.242374 0.059769 0.092 Uiso 1 1 calc R U . . .
C21 C 0.4188(6) 0.1824(14) 0.1503(10) 0.077(3) Uani 1 1 d . . . . .
H21A H 0.402402 0.138402 0.126272 0.092 Uiso 1 1 calc R U . . .
H21B H 0.437466 0.139768 0.168122 0.092 Uiso 1 1 calc R U . . .
C22 C 0.4042(5) 0.2341(14) 0.1997(10) 0.077(3) Uani 1 1 d . . . . .
H22A H 0.418200 0.227535 0.240666 0.092 Uiso 1 1 calc R U . . .
H22B H 0.382134 0.203948 0.206876 0.092 Uiso 1 1 calc R U . . .
O2 O 0.4221(2) 0.4708(8) 0.3425(4) 0.045(2) Uani 1 1 d . . . . .
C23 C 0.4582(3) 0.4787(13) 0.3330(8) 0.057(4) Uani 1 1 d . . . . .
H23A H 0.462766 0.531095 0.300125 0.069 Uiso 1 1 calc R U . . .
H23B H 0.467272 0.412882 0.318758 0.069 Uiso 1 1 calc R U . . .
C24 C 0.4732(4) 0.5079(13) 0.3990(8) 0.060(4) Uani 1 1 d . . . . .
H24A H 0.496383 0.482888 0.405246 0.072 Uiso 1 1 calc R U . . .
H24B H 0.473103 0.582534 0.404771 0.072 Uiso 1 1 calc R U . . .
C25 C 0.4515(4) 0.4584(17) 0.4446(8) 0.074(5) Uani 1 1 d . . . . .
H25A H 0.452476 0.494126 0.487075 0.089 Uiso 1 1 calc R U . . .
H25B H 0.458164 0.386758 0.451845 0.089 Uiso 1 1 calc R U . . .
C26 C 0.4173(4) 0.4648(17) 0.4121(7) 0.069(5) Uani 1 1 d . . . . .
H26A H 0.404058 0.403928 0.422210 0.083 Uiso 1 1 calc R U . . .
H26B H 0.405483 0.525813 0.427060 0.083 Uiso 1 1 calc R U . . .
O3 O 0.3468(6) 0.6209(13) 0.3093(10) 0.130(5) Uani 1 1 d . . . . .
C27 C 0.3583(9) 0.671(2) 0.3723(15) 0.130(5) Uani 1 1 d . . . . .
H27A H 0.353517 0.628269 0.410246 0.156 Uiso 1 1 calc R U . . .
H27B H 0.382476 0.685773 0.373410 0.156 Uiso 1 1 calc R U . . .
C28 C 0.3392(8) 0.764(2) 0.3723(14) 0.130(5) Uani 1 1 d D . . . .
H28A H 0.327271 0.768486 0.413174 0.156 Uiso 1 1 calc R U . . .
H28B H 0.354494 0.822949 0.371062 0.156 Uiso 1 1 calc R U . . .
C29 C 0.3168(8) 0.769(2) 0.3204(14) 0.130(5) Uani 1 1 d D . . . .
H29A H 0.320672 0.828764 0.292829 0.156 Uiso 1 1 calc R U . . .
H29B H 0.293665 0.770157 0.334437 0.156 Uiso 1 1 calc R U . . .
C30 C 0.3233(9) 0.6805(19) 0.2885(15) 0.130(5) Uani 1 1 d D . . . .
H30A H 0.302516 0.640343 0.286198 0.156 Uiso 1 1 calc R U . . .
H30B H 0.327930 0.699044 0.243091 0.156 Uiso 1 1 calc R U . . .
O4 O 0.3250(2) 0.4814(8) 0.1784(5) 0.053(2) Uani 1 1 d . . . . .
C31 C 0.2893(4) 0.4843(15) 0.1992(10) 0.069(5) Uani 1 1 d . . . . .
H31A H 0.286048 0.436936 0.235777 0.083 Uiso 1 1 calc R U . . .
H31B H 0.282853 0.553625 0.212204 0.083 Uiso 1 1 calc R U . . .
C32 C 0.2699(4) 0.4506(13) 0.1375(11) 0.075(6) Uani 1 1 d . . . . .
H32A H 0.269579 0.375691 0.133478 0.090 Uiso 1 1 calc R U . . .
H32B H 0.246742 0.476311 0.136012 0.090 Uiso 1 1 calc R U . . .
C33 C 0.2898(4) 0.499(2) 0.0853(9) 0.097(8) Uani 1 1 d . . . . .
H33A H 0.287245 0.573777 0.084178 0.116 Uiso 1 1 calc R U . . .
H33B H 0.284115 0.470346 0.041497 0.116 Uiso 1 1 calc R U . . .
C34 C 0.3253(4) 0.4652(16) 0.1132(9) 0.069(4) Uani 1 1 d . . . . .
H34A H 0.329220 0.392594 0.103794 0.082 Uiso 1 1 calc R U . . .
H34B H 0.342871 0.506179 0.093880 0.082 Uiso 1 1 calc R U . . .
Sr2 Sr 0.12666(2) 0.48964(6) 0.45183(4) 0.02058(17) Uani 1 1 d . . . . .
Sn3 Sn 0.17067(2) 0.68650(5) 0.52749(3) 0.02334(14) Uani 1 1 d . . . . .
Si7 Si 0.21263(8) 0.6568(2) 0.62582(15) 0.0340(6) Uani 1 1 d . . . . .
C35 C 0.1935(5) 0.5736(12) 0.6875(7) 0.063(4) Uani 1 1 d . . . . .
H35A H 0.211050 0.547181 0.718068 0.095 Uiso 1 1 calc R U . . .
H35B H 0.181973 0.516822 0.665252 0.095 Uiso 1 1 calc R U . . .
H35C H 0.177604 0.613107 0.711562 0.095 Uiso 1 1 calc R U . . .
C36 C 0.2284(5) 0.7742(12) 0.6700(8) 0.070(5) Uani 1 1 d . . . . .
H36A H 0.210166 0.806086 0.692227 0.105 Uiso 1 1 calc R U . . .
H36B H 0.237096 0.822094 0.638590 0.105 Uiso 1 1 calc R U . . .
H36C H 0.246269 0.755513 0.702304 0.105 Uiso 1 1 calc R U . . .
C37 C 0.2517(3) 0.5905(11) 0.6034(8) 0.054(4) Uani 1 1 d . . . . .
H37A H 0.265296 0.574289 0.643136 0.082 Uiso 1 1 calc R U . . .
H37B H 0.264316 0.634882 0.575461 0.082 Uiso 1 1 calc R U . . .
H37C H 0.245863 0.527660 0.579864 0.082 Uiso 1 1 calc R U . . .
Si8 Si 0.13054(8) 0.8109(2) 0.58289(17) 0.0350(6) Uani 1 1 d . . . . .
C38 C 0.0876(3) 0.8065(11) 0.5430(9) 0.053(4) Uani 1 1 d . . . . .
H38A H 0.072316 0.844326 0.569599 0.080 Uiso 1 1 calc R U . . .
H38B H 0.080237 0.735757 0.539076 0.080 Uiso 1 1 calc R U . . .
H38C H 0.087751 0.837152 0.499524 0.080 Uiso 1 1 calc R U . . .
C39 C 0.1258(4) 0.7745(11) 0.6710(7) 0.052(3) Uani 1 1 d . . . . .
H39A H 0.108684 0.817217 0.689457 0.078 Uiso 1 1 calc R U . . .
H39B H 0.147032 0.784306 0.695953 0.078 Uiso 1 1 calc R U . . .
H39C H 0.119125 0.703064 0.673407 0.078 Uiso 1 1 calc R U . . .
C40 C 0.1426(4) 0.9494(9) 0.5831(8) 0.055(4) Uani 1 1 d . . . . .
H40A H 0.145102 0.972177 0.538192 0.082 Uiso 1 1 calc R U . . .
H40B H 0.163681 0.958483 0.608648 0.082 Uiso 1 1 calc R U . . .
H40C H 0.125159 0.989528 0.602620 0.082 Uiso 1 1 calc R U . . .
Si9 Si 0.20596(8) 0.8070(2) 0.45864(16) 0.0330(6) Uani 1 1 d . . . . .
C41 C 0.2484(3) 0.7537(16) 0.4456(12) 0.082(7) Uani 1 1 d . . . . .
H41A H 0.246173 0.692226 0.418882 0.122 Uiso 1 1 calc R U . . .
H41B H 0.259555 0.737037 0.487932 0.122 Uiso 1 1 calc R U . . .
H41C H 0.261580 0.804195 0.423284 0.122 Uiso 1 1 calc R U . . .
C42 C 0.2133(4) 0.9404(11) 0.4916(8) 0.062(4) Uani 1 1 d . . . . .
H42A H 0.221927 0.936780 0.537134 0.093 Uiso 1 1 calc R U . . .
H42B H 0.192298 0.978193 0.489030 0.093 Uiso 1 1 calc R U . . .
H42C H 0.229565 0.975178 0.465501 0.093 Uiso 1 1 calc R U . . .
C43 C 0.1867(4) 0.8253(15) 0.3737(7) 0.069(5) Uani 1 1 d . . . . .
H43A H 0.203335 0.853105 0.345553 0.104 Uiso 1 1 calc R U . . .
H43B H 0.167882 0.872509 0.375082 0.104 Uiso 1 1 calc R U . . .
H43C H 0.178738 0.759822 0.356298 0.104 Uiso 1 1 calc R U . . .
Sn4 Sn 0.08463(2) 0.29384(5) 0.37084(3) 0.02341(15) Uani 1 1 d . . . . .
Si10 Si 0.12709(8) 0.1635(2) 0.32876(16) 0.0337(6) Uani 1 1 d . . . . .
C44 C 0.1444(4) 0.2030(11) 0.2501(7) 0.050(3) Uani 1 1 d . . . . .
H44A H 0.159746 0.150639 0.235799 0.074 Uiso 1 1 calc R U . . .
H44B H 0.156462 0.267277 0.256301 0.074 Uiso 1 1 calc R U . . .
H44C H 0.126204 0.211780 0.216848 0.074 Uiso 1 1 calc R U . . .
C45 C 0.1643(4) 0.1510(15) 0.3876(8) 0.069(5) Uani 1 1 d . . . . .
H45A H 0.157280 0.124405 0.429290 0.103 Uiso 1 1 calc R U . . .
H45B H 0.174681 0.217751 0.394681 0.103 Uiso 1 1 calc R U . . .
H45C H 0.180451 0.104364 0.369675 0.103 Uiso 1 1 calc R U . . .
C46 C 0.1112(4) 0.0316(11) 0.3144(9) 0.060(4) Uani 1 1 d . . . . .
H46A H 0.092356 0.033067 0.281956 0.090 Uiso 1 1 calc R U . . .
H46B H 0.103821 0.003452 0.355435 0.090 Uiso 1 1 calc R U . . .
H46C H 0.128966 -0.010883 0.298366 0.090 Uiso 1 1 calc R U . . .
Si11 Si 0.04402(8) 0.1698(2) 0.42432(19) 0.0379(7) Uani 1 1 d . . . . .
C47 C 0.0220(6) 0.0763(16) 0.3668(11) 0.097(7) Uani 1 1 d . . . . .
H47A H 0.028409 0.088950 0.322170 0.145 Uiso 1 1 calc R U . . .
H47B H -0.002175 0.084544 0.368768 0.145 Uiso 1 1 calc R U . . .
H47C H 0.028248 0.006962 0.379704 0.145 Uiso 1 1 calc R U . . .
C48 C 0.0661(5) 0.0923(15) 0.4901(11) 0.082(6) Uani 1 1 d . . . . .
H48A H 0.072482 0.136059 0.527329 0.122 Uiso 1 1 calc R U . . .
H48B H 0.086109 0.061748 0.473173 0.122 Uiso 1 1 calc R U . . .
H48C H 0.051262 0.038485 0.504160 0.122 Uiso 1 1 calc R U . . .
C49 C 0.0087(4) 0.2375(14) 0.4643(13) 0.085(7) Uani 1 1 d . . . . .
H49A H -0.006760 0.187219 0.480633 0.127 Uiso 1 1 calc R U . . .
H49B H -0.003155 0.281366 0.432240 0.127 Uiso 1 1 calc R U . . .
H49C H 0.017833 0.278858 0.500802 0.127 Uiso 1 1 calc R U . . .
Si12 Si 0.05197(7) 0.3262(3) 0.26027(15) 0.0334(6) Uani 1 1 d . . . . .
C50 C 0.0088(3) 0.3761(11) 0.2723(6) 0.044(3) Uani 1 1 d . . . . .
H50A H 0.010381 0.440044 0.296710 0.065 Uiso 1 1 calc R U . . .
H50B H -0.003613 0.326312 0.296801 0.065 Uiso 1 1 calc R U . . .
H50C H -0.002753 0.387908 0.229694 0.065 Uiso 1 1 calc R U . . .
C51 C 0.0728(4) 0.4232(16) 0.2096(7) 0.067(5) Uani 1 1 d . . . . .
H51A H 0.057783 0.442811 0.172515 0.101 Uiso 1 1 calc R U . . .
H51B H 0.093284 0.394364 0.193388 0.101 Uiso 1 1 calc R U . . .
H51C H 0.078382 0.483170 0.236289 0.101 Uiso 1 1 calc R U . . .
C52 C 0.0462(4) 0.2085(13) 0.2059(8) 0.066(5) Uani 1 1 d . . . . .
H52A H 0.033754 0.227087 0.165225 0.099 Uiso 1 1 calc R U . . .
H52B H 0.033927 0.156551 0.228741 0.099 Uiso 1 1 calc R U . . .
H52C H 0.068107 0.181802 0.195769 0.099 Uiso 1 1 calc R U . . .
O5 O 0.1665(2) 0.4924(7) 0.3620(4) 0.0395(18) Uani 1 1 d . . . . .
C53 C 0.2017(4) 0.4912(13) 0.3713(7) 0.053(3) Uani 1 1 d . . . . .
H53A H 0.209823 0.422039 0.382310 0.063 Uiso 1 1 calc R U . . .
H53B H 0.209234 0.538098 0.406823 0.063 Uiso 1 1 calc R U . . .
C54 C 0.2144(4) 0.5255(14) 0.3070(7) 0.058(4) Uani 1 1 d . . . . .
H54A H 0.215466 0.600507 0.304437 0.070 Uiso 1 1 calc R U . . .
H54B H 0.236630 0.496830 0.300010 0.070 Uiso 1 1 calc R U . . .
C55 C 0.1887(4) 0.4839(13) 0.2595(7) 0.055(4) Uani 1 1 d . . . . .
H55A H 0.188070 0.522704 0.218161 0.067 Uiso 1 1 calc R U . . .
H55B H 0.193227 0.411670 0.250002 0.067 Uiso 1 1 calc R U . . .
C56 C 0.1570(4) 0.4947(13) 0.2919(6) 0.053(4) Uani 1 1 d . . . . .
H56A H 0.146011 0.559678 0.279629 0.064 Uiso 1 1 calc R U . . .
H56B H 0.141709 0.438119 0.279735 0.064 Uiso 1 1 calc R U . . .
O6 O 0.15885(19) 0.3588(6) 0.5197(4) 0.0339(16) Uani 1 1 d . . . . .
C57 C 0.1940(3) 0.3618(10) 0.5337(7) 0.045(3) Uani 1 1 d . . . . .
H57A H 0.201564 0.432088 0.543018 0.054 Uiso 1 1 calc R U . . .
H57B H 0.205997 0.335318 0.496362 0.054 Uiso 1 1 calc R U . . .
C58 C 0.2001(4) 0.2956(11) 0.5925(8) 0.055(4) Uani 1 1 d . . . . .
H58A H 0.223118 0.268508 0.594919 0.066 Uiso 1 1 calc R U . . .
H58B H 0.196267 0.333263 0.633127 0.066 Uiso 1 1 calc R U . . .
C59 C 0.1757(4) 0.2143(9) 0.5814(7) 0.044(3) Uani 1 1 d . . . . .
H59A H 0.170524 0.180979 0.622925 0.053 Uiso 1 1 calc R U . . .
H59B H 0.183654 0.162624 0.550972 0.053 Uiso 1 1 calc R U . . .
C60 C 0.1452(3) 0.2715(9) 0.5514(7) 0.042(3) Uani 1 1 d . . . . .
H60A H 0.132528 0.228270 0.519404 0.050 Uiso 1 1 calc R U . . .
H60B H 0.130328 0.292830 0.585664 0.050 Uiso 1 1 calc R U . . .
O7 O 0.0865(2) 0.4895(8) 0.5410(5) 0.053(3) Uani 1 1 d . . . . .
C61 C 0.0933(3) 0.5109(11) 0.6086(7) 0.0491(15) Uani 1 1 d . . . . .
H61A H 0.111014 0.562652 0.614368 0.059 Uiso 1 1 calc R U . . .
H61B H 0.100523 0.448581 0.632307 0.059 Uiso 1 1 calc R U . . .
C62 C 0.0608(3) 0.5503(11) 0.6338(7) 0.0491(15) Uani 1 1 d . . . . .
H62A H 0.058195 0.528920 0.679454 0.059 Uiso 1 1 calc R U . . .
H62B H 0.059547 0.625212 0.631047 0.059 Uiso 1 1 calc R U . . .
C63 C 0.0349(3) 0.5007(11) 0.5877(7) 0.0491(15) Uani 1 1 d . . . . .
H63A H 0.031319 0.428912 0.599687 0.059 Uiso 1 1 calc R U . . .
H63B H 0.013401 0.537379 0.587654 0.059 Uiso 1 1 calc R U . . .
C64 C 0.0494(3) 0.5086(11) 0.5252(7) 0.0491(15) Uani 1 1 d . . . . .
H64A H 0.045699 0.576911 0.506092 0.059 Uiso 1 1 calc R U . . .
H64B H 0.039963 0.457032 0.494415 0.059 Uiso 1 1 calc R U . . .
O8 O 0.0904(2) 0.6192(6) 0.3894(4) 0.0414(19) Uani 1 1 d . . . . .
C65 C 0.1020(4) 0.7169(12) 0.3660(13) 0.086(4) Uani 1 1 d . . . . .
H65A H 0.119289 0.706836 0.334127 0.103 Uiso 1 1 calc R U . . .
H65B H 0.111594 0.757905 0.402835 0.103 Uiso 1 1 calc R U . . .
C66 C 0.0727(4) 0.7689(13) 0.3347(13) 0.086(4) Uani 1 1 d . . . . .
H66A H 0.078987 0.808859 0.296386 0.103 Uiso 1 1 calc R U . . .
H66B H 0.062172 0.814505 0.365839 0.103 Uiso 1 1 calc R U . . .
C67 C 0.0500(4) 0.6825(12) 0.3145(13) 0.086(4) Uani 1 1 d . . . . .
H67A H 0.026433 0.704771 0.309692 0.103 Uiso 1 1 calc R U . . .
H67B H 0.056356 0.651368 0.273054 0.103 Uiso 1 1 calc R U . . .
C68 C 0.0556(4) 0.6111(13) 0.3706(13) 0.086(4) Uani 1 1 d . . . . .
H68A H 0.041897 0.630821 0.407202 0.103 Uiso 1 1 calc R U . . .
H68B H 0.049839 0.540779 0.357353 0.103 Uiso 1 1 calc R U . . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Sn Sn -0.6537 1.4246 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Sr Sr -1.5307 3.2498 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Si Si 0.0817 0.0704 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
O4 Sr1 O2 173.2(3) . . ?
O4 Sr1 O3 82.9(6) . . ?
O2 Sr1 O3 92.6(6) . . ?
O4 Sr1 O1 89.0(3) . . ?
O2 Sr1 O1 95.9(3) . . ?
O3 Sr1 O1 170.4(5) . . ?
O4 Sr1 Sn2 86.8(2) . . ?
O2 Sr1 Sn2 88.5(2) . . ?
O3 Sr1 Sn2 94.9(5) . . ?
O1 Sr1 Sn2 89.69(19) . . ?
O4 Sr1 Sn1 93.5(2) . . ?
O2 Sr1 Sn1 91.2(2) . . ?
O3 Sr1 Sn1 84.5(5) . . ?
O1 Sr1 Sn1 90.94(19) . . ?
Sn2 Sr1 Sn1 179.33(4) . . ?
Si2 Sn1 Si3 96.54(12) . . ?
Si2 Sn1 Si1 97.47(13) . . ?
Si3 Sn1 Si1 101.03(12) . . ?
Si2 Sn1 Sr1 124.13(8) . . ?
Si3 Sn1 Sr1 115.62(9) . . ?
Si1 Sn1 Sr1 117.60(10) . . ?
C2 Si1 C1 105.0(6) . . ?
C2 Si1 C3 105.7(6) . . ?
C1 Si1 C3 103.7(6) . . ?
C2 Si1 Sn1 115.9(4) . . ?
C1 Si1 Sn1 115.6(4) . . ?
C3 Si1 Sn1 109.8(4) . . ?
Si1 C1 H1A 109.5 . . ?
Si1 C1 H1B 109.5 . . ?
H1A C1 H1B 109.5 . . ?
Si1 C1 H1C 109.5 . . ?
H1A C1 H1C 109.5 . . ?
H1B C1 H1C 109.5 . . ?
Si1 C2 H2A 109.5 . . ?
Si1 C2 H2B 109.5 . . ?
H2A C2 H2B 109.5 . . ?
Si1 C2 H2C 109.5 . . ?
H2A C2 H2C 109.5 . . ?
H2B C2 H2C 109.5 . . ?
Si1 C3 H3A 109.5 . . ?
Si1 C3 H3B 109.5 . . ?
H3A C3 H3B 109.5 . . ?
Si1 C3 H3C 109.5 . . ?
H3A C3 H3C 109.5 . . ?
H3B C3 H3C 109.5 . . ?
C5 Si2 C6 105.8(9) . . ?
C5 Si2 C4 105.1(8) . . ?
C6 Si2 C4 105.1(7) . . ?
C5 Si2 Sn1 112.3(6) . . ?
C6 Si2 Sn1 111.2(6) . . ?
C4 Si2 Sn1 116.4(5) . . ?
Si2 C4 H4A 109.5 . . ?
Si2 C4 H4B 109.5 . . ?
H4A C4 H4B 109.5 . . ?
Si2 C4 H4C 109.5 . . ?
H4A C4 H4C 109.5 . . ?
H4B C4 H4C 109.5 . . ?
Si2 C5 H5A 109.5 . . ?
Si2 C5 H5B 109.5 . . ?
H5A C5 H5B 109.5 . . ?
Si2 C5 H5C 109.5 . . ?
H5A C5 H5C 109.5 . . ?
H5B C5 H5C 109.5 . . ?
Si2 C6 H6A 109.5 . . ?
Si2 C6 H6B 109.5 . . ?
H6A C6 H6B 109.5 . . ?
Si2 C6 H6C 109.5 . . ?
H6A C6 H6C 109.5 . . ?
H6B C6 H6C 109.5 . . ?
C9 Si3 C8 106.2(10) . . ?
C9 Si3 C7 106.6(8) . . ?
C8 Si3 C7 105.8(8) . . ?
C9 Si3 Sn1 111.1(5) . . ?
C8 Si3 Sn1 111.7(7) . . ?
C7 Si3 Sn1 114.9(5) . . ?
Si3 C7 H7A 109.5 . . ?
Si3 C7 H7B 109.5 . . ?
H7A C7 H7B 109.5 . . ?
Si3 C7 H7C 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
Si3 C8 H8A 109.5 . . ?
Si3 C8 H8B 109.5 . . ?
H8A C8 H8B 109.5 . . ?
Si3 C8 H8C 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
Si3 C9 H9A 109.5 . . ?
Si3 C9 H9B 109.5 . . ?
H9A C9 H9B 109.5 . . ?
Si3 C9 H9C 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
Si5 Sn2 Si4 98.34(12) . . ?
Si5 Sn2 Si6 100.38(13) . . ?
Si4 Sn2 Si6 96.80(12) . . ?
Si5 Sn2 Sr1 116.57(10) . . ?
Si4 Sn2 Sr1 117.29(8) . . ?
Si6 Sn2 Sr1 122.94(9) . . ?
C11 Si4 C10 108.0(8) . . ?
C11 Si4 C12 103.4(11) . . ?
C10 Si4 C12 105.6(9) . . ?
C11 Si4 Sn2 112.0(6) . . ?
C10 Si4 Sn2 114.5(5) . . ?
C12 Si4 Sn2 112.5(7) . . ?
Si4 C10 H10A 109.5 . . ?
Si4 C10 H10B 109.5 . . ?
H10A C10 H10B 109.5 . . ?
Si4 C10 H10C 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
Si4 C11 H11A 109.5 . . ?
Si4 C11 H11B 109.5 . . ?
H11A C11 H11B 109.5 . . ?
Si4 C11 H11C 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
Si4 C12 H12A 109.5 . . ?
Si4 C12 H12B 109.5 . . ?
H12A C12 H12B 109.5 . . ?
Si4 C12 H12C 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
C15 Si5 C13 105.7(9) . . ?
C15 Si5 C14 106.8(13) . . ?
C13 Si5 C14 107.8(10) . . ?
C15 Si5 Sn2 114.9(7) . . ?
C13 Si5 Sn2 111.9(5) . . ?
C14 Si5 Sn2 109.3(8) . . ?
Si5 C13 H13A 109.5 . . ?
Si5 C13 H13B 109.5 . . ?
H13A C13 H13B 109.5 . . ?
Si5 C13 H13C 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
Si5 C14 H14A 109.5 . . ?
Si5 C14 H14B 109.5 . . ?
H14A C14 H14B 109.5 . . ?
Si5 C14 H14C 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
Si5 C15 H15A 109.5 . . ?
Si5 C15 H15B 109.5 . . ?
H15A C15 H15B 109.5 . . ?
Si5 C15 H15C 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
C18 Si6 C16 106.0(8) . . ?
C18 Si6 C17 107.2(11) . . ?
C16 Si6 C17 105.2(8) . . ?
C18 Si6 Sn2 109.0(7) . . ?
C16 Si6 Sn2 112.4(5) . . ?
C17 Si6 Sn2 116.5(6) . . ?
Si6 C16 H16A 109.5 . . ?
Si6 C16 H16B 109.5 . . ?
H16A C16 H16B 109.5 . . ?
Si6 C16 H16C 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
Si6 C17 H17A 109.5 . . ?
Si6 C17 H17B 109.5 . . ?
H17A C17 H17B 109.5 . . ?
Si6 C17 H17C 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
Si6 C18 H18A 109.5 . . ?
Si6 C18 H18B 109.5 . . ?
H18A C18 H18B 109.5 . . ?
Si6 C18 H18C 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
C19 O1 C22 107.4(12) . . ?
C19 O1 Sr1 127.4(9) . . ?
C22 O1 Sr1 125.2(9) . . ?
O1 C19 C20 104.4(15) . . ?
O1 C19 H19A 110.9 . . ?
C20 C19 H19A 110.9 . . ?
O1 C19 H19B 110.9 . . ?
C20 C19 H19B 110.9 . . ?
H19A C19 H19B 108.9 . . ?
C19 C20 C21 106.5(16) . . ?
C19 C20 H20A 110.4 . . ?
C21 C20 H20A 110.4 . . ?
C19 C20 H20B 110.4 . . ?
C21 C20 H20B 110.4 . . ?
H20A C20 H20B 108.6 . . ?
C22 C21 C20 105.3(16) . . ?
C22 C21 H21A 110.7 . . ?
C20 C21 H21A 110.7 . . ?
C22 C21 H21B 110.7 . . ?
C20 C21 H21B 110.7 . . ?
H21A C21 H21B 108.8 . . ?
C21 C22 O1 110.5(16) . . ?
C21 C22 H22A 109.6 . . ?
O1 C22 H22A 109.6 . . ?
C21 C22 H22B 109.6 . . ?
O1 C22 H22B 109.6 . . ?
H22A C22 H22B 108.1 . . ?
C26 O2 C23 108.6(11) . . ?
C26 O2 Sr1 124.7(8) . . ?
C23 O2 Sr1 126.7(8) . . ?
O2 C23 C24 104.3(12) . . ?
O2 C23 H23A 110.9 . . ?
C24 C23 H23A 110.9 . . ?
O2 C23 H23B 110.9 . . ?
C24 C23 H23B 110.9 . . ?
H23A C23 H23B 108.9 . . ?
C25 C24 C23 103.7(13) . . ?
C25 C24 H24A 111.0 . . ?
C23 C24 H24A 111.0 . . ?
C25 C24 H24B 111.0 . . ?
C23 C24 H24B 111.0 . . ?
H24A C24 H24B 109.0 . . ?
C24 C25 C26 104.9(14) . . ?
C24 C25 H25A 110.8 . . ?
C26 C25 H25A 110.8 . . ?
C24 C25 H25B 110.8 . . ?
C26 C25 H25B 110.8 . . ?
H25A C25 H25B 108.8 . . ?
O2 C26 C25 105.6(13) . . ?
O2 C26 H26A 110.6 . . ?
C25 C26 H26A 110.6 . . ?
O2 C26 H26B 110.6 . . ?
C25 C26 H26B 110.6 . . ?
H26A C26 H26B 108.7 . . ?
C30 O3 C27 101.6(19) . . ?
C30 O3 Sr1 131.6(18) . . ?
C27 O3 Sr1 125.8(17) . . ?
C28 C27 O3 104(3) . . ?
C28 C27 H27A 111.0 . . ?
O3 C27 H27A 111.0 . . ?
C28 C27 H27B 111.0 . . ?
O3 C27 H27B 111.0 . . ?
H27A C27 H27B 109.0 . . ?
C29 C28 C27 111(3) . . ?
C29 C28 H28A 109.3 . . ?
C27 C28 H28A 109.3 . . ?
C29 C28 H28B 109.3 . . ?
C27 C28 H28B 109.3 . . ?
H28A C28 H28B 108.0 . . ?
C28 C29 C30 102(3) . . ?
C28 C29 H29A 111.4 . . ?
C30 C29 H29A 111.4 . . ?
C28 C29 H29B 111.4 . . ?
C30 C29 H29B 111.4 . . ?
H29A C29 H29B 109.3 . . ?
O3 C30 C29 121(3) . . ?
O3 C30 H30A 107.0 . . ?
C29 C30 H30A 107.0 . . ?
O3 C30 H30B 107.0 . . ?
C29 C30 H30B 107.0 . . ?
H30A C30 H30B 106.8 . . ?
C34 O4 C31 110.0(12) . . ?
C34 O4 Sr1 124.2(9) . . ?
C31 O4 Sr1 125.0(10) . . ?
C32 C31 O4 102.0(15) . . ?
C32 C31 H31A 111.4 . . ?
O4 C31 H31A 111.4 . . ?
C32 C31 H31B 111.4 . . ?
O4 C31 H31B 111.4 . . ?
H31A C31 H31B 109.2 . . ?
C33 C32 C31 101.6(14) . . ?
C33 C32 H32A 111.5 . . ?
C31 C32 H32A 111.5 . . ?
C33 C32 H32B 111.5 . . ?
C31 C32 H32B 111.5 . . ?
H32A C32 H32B 109.3 . . ?
C32 C33 C34 97.3(16) . . ?
C32 C33 H33A 112.3 . . ?
C34 C33 H33A 112.3 . . ?
C32 C33 H33B 112.3 . . ?
C34 C33 H33B 112.3 . . ?
H33A C33 H33B 109.9 . . ?
O4 C34 C33 104.8(14) . . ?
O4 C34 H34A 110.8 . . ?
C33 C34 H34A 110.8 . . ?
O4 C34 H34B 110.8 . . ?
C33 C34 H34B 110.8 . . ?
H34A C34 H34B 108.9 . . ?
O7 Sr2 O5 179.1(4) . . ?
O7 Sr2 O6 85.9(3) . . ?
O5 Sr2 O6 94.9(3) . . ?
O7 Sr2 O8 89.6(4) . . ?
O5 Sr2 O8 89.6(3) . . ?
O6 Sr2 O8 175.4(3) . . ?
O7 Sr2 Sn4 91.9(2) . . ?
O5 Sr2 Sn4 88.4(2) . . ?
O6 Sr2 Sn4 88.73(17) . . ?
O8 Sr2 Sn4 90.40(19) . . ?
O7 Sr2 Sn3 90.4(2) . . ?
O5 Sr2 Sn3 89.3(2) . . ?
O6 Sr2 Sn3 91.74(17) . . ?
O8 Sr2 Sn3 89.31(19) . . ?
Sn4 Sr2 Sn3 177.69(3) . . ?
Si7 Sn3 Si9 99.44(10) . . ?
Si7 Sn3 Si8 98.50(11) . . ?
Si9 Sn3 Si8 102.90(10) . . ?
Si7 Sn3 Sr2 122.16(7) . . ?
Si9 Sn3 Sr2 119.67(8) . . ?
Si8 Sn3 Sr2 110.72(7) . . ?
C35 Si7 C37 105.9(7) . . ?
C35 Si7 C36 107.2(8) . . ?
C37 Si7 C36 103.6(8) . . ?
C35 Si7 Sn3 110.0(6) . . ?
C37 Si7 Sn3 113.4(5) . . ?
C36 Si7 Sn3 116.1(5) . . ?
Si7 C35 H35A 109.5 . . ?
Si7 C35 H35B 109.5 . . ?
H35A C35 H35B 109.5 . . ?
Si7 C35 H35C 109.5 . . ?
H35A C35 H35C 109.5 . . ?
H35B C35 H35C 109.5 . . ?
Si7 C36 H36A 109.5 . . ?
Si7 C36 H36B 109.5 . . ?
H36A C36 H36B 109.5 . . ?
Si7 C36 H36C 109.5 . . ?
H36A C36 H36C 109.5 . . ?
H36B C36 H36C 109.5 . . ?
Si7 C37 H37A 109.5 . . ?
Si7 C37 H37B 109.5 . . ?
H37A C37 H37B 109.5 . . ?
Si7 C37 H37C 109.5 . . ?
H37A C37 H37C 109.5 . . ?
H37B C37 H37C 109.5 . . ?
C38 Si8 C40 105.2(7) . . ?
C38 Si8 C39 105.7(7) . . ?
C40 Si8 C39 106.4(7) . . ?
C38 Si8 Sn3 111.6(5) . . ?
C40 Si8 Sn3 116.4(5) . . ?
C39 Si8 Sn3 110.8(4) . . ?
Si8 C38 H38A 109.5 . . ?
Si8 C38 H38B 109.5 . . ?
H38A C38 H38B 109.5 . . ?
Si8 C38 H38C 109.5 . . ?
H38A C38 H38C 109.5 . . ?
H38B C38 H38C 109.5 . . ?
Si8 C39 H39A 109.5 . . ?
Si8 C39 H39B 109.5 . . ?
H39A C39 H39B 109.5 . . ?
Si8 C39 H39C 109.5 . . ?
H39A C39 H39C 109.5 . . ?
H39B C39 H39C 109.5 . . ?
Si8 C40 H40A 109.5 . . ?
Si8 C40 H40B 109.5 . . ?
H40A C40 H40B 109.5 . . ?
Si8 C40 H40C 109.5 . . ?
H40A C40 H40C 109.5 . . ?
H40B C40 H40C 109.5 . . ?
C41 Si9 C43 104.3(10) . . ?
C41 Si9 C42 105.7(9) . . ?
C43 Si9 C42 105.0(8) . . ?
C41 Si9 Sn3 112.2(5) . . ?
C43 Si9 Sn3 111.8(5) . . ?
C42 Si9 Sn3 116.8(5) . . ?
Si9 C41 H41A 109.5 . . ?
Si9 C41 H41B 109.5 . . ?
H41A C41 H41B 109.5 . . ?
Si9 C41 H41C 109.5 . . ?
H41A C41 H41C 109.5 . . ?
H41B C41 H41C 109.5 . . ?
Si9 C42 H42A 109.5 . . ?
Si9 C42 H42B 109.5 . . ?
H42A C42 H42B 109.5 . . ?
Si9 C42 H42C 109.5 . . ?
H42A C42 H42C 109.5 . . ?
H42B C42 H42C 109.5 . . ?
Si9 C43 H43A 109.5 . . ?
Si9 C43 H43B 109.5 . . ?
H43A C43 H43B 109.5 . . ?
Si9 C43 H43C 109.5 . . ?
H43A C43 H43C 109.5 . . ?
H43B C43 H43C 109.5 . . ?
Si12 Sn4 Si11 99.98(11) . . ?
Si12 Sn4 Si10 97.35(10) . . ?
Si11 Sn4 Si10 99.48(10) . . ?
Si12 Sn4 Sr2 120.55(8) . . ?
Si11 Sn4 Sr2 124.64(9) . . ?
Si10 Sn4 Sr2 109.84(7) . . ?
C44 Si10 C46 105.3(7) . . ?
C44 Si10 C45 104.9(8) . . ?
C46 Si10 C45 105.9(8) . . ?
C44 Si10 Sn4 112.7(4) . . ?
C46 Si10 Sn4 116.1(5) . . ?
C45 Si10 Sn4 111.0(5) . . ?
Si10 C44 H44A 109.5 . . ?
Si10 C44 H44B 109.5 . . ?
H44A C44 H44B 109.5 . . ?
Si10 C44 H44C 109.5 . . ?
H44A C44 H44C 109.5 . . ?
H44B C44 H44C 109.5 . . ?
Si10 C45 H45A 109.5 . . ?
Si10 C45 H45B 109.5 . . ?
H45A C45 H45B 109.5 . . ?
Si10 C45 H45C 109.5 . . ?
H45A C45 H45C 109.5 . . ?
H45B C45 H45C 109.5 . . ?
Si10 C46 H46A 109.5 . . ?
Si10 C46 H46B 109.5 . . ?
H46A C46 H46B 109.5 . . ?
Si10 C46 H46C 109.5 . . ?
H46A C46 H46C 109.5 . . ?
H46B C46 H46C 109.5 . . ?
C48 Si11 C47 106.3(11) . . ?
C48 Si11 C49 106.2(10) . . ?
C47 Si11 C49 103.9(10) . . ?
C48 Si11 Sn4 111.3(6) . . ?
C47 Si11 Sn4 115.5(7) . . ?
C49 Si11 Sn4 112.9(6) . . ?
Si11 C47 H47A 109.5 . . ?
Si11 C47 H47B 109.5 . . ?
H47A C47 H47B 109.5 . . ?
Si11 C47 H47C 109.5 . . ?
H47A C47 H47C 109.5 . . ?
H47B C47 H47C 109.5 . . ?
Si11 C48 H48A 109.5 . . ?
Si11 C48 H48B 109.5 . . ?
H48A C48 H48B 109.5 . . ?
Si11 C48 H48C 109.5 . . ?
H48A C48 H48C 109.5 . . ?
H48B C48 H48C 109.5 . . ?
Si11 C49 H49A 109.5 . . ?
Si11 C49 H49B 109.5 . . ?
H49A C49 H49B 109.5 . . ?
Si11 C49 H49C 109.5 . . ?
H49A C49 H49C 109.5 . . ?
H49B C49 H49C 109.5 . . ?
C51 Si12 C50 106.2(7) . . ?
C51 Si12 C52 105.7(9) . . ?
C50 Si12 C52 106.1(6) . . ?
C51 Si12 Sn4 112.1(5) . . ?
C50 Si12 Sn4 111.6(4) . . ?
C52 Si12 Sn4 114.6(5) . . ?
Si12 C50 H50A 109.5 . . ?
Si12 C50 H50B 109.5 . . ?
H50A C50 H50B 109.5 . . ?
Si12 C50 H50C 109.5 . . ?
H50A C50 H50C 109.5 . . ?
H50B C50 H50C 109.5 . . ?
Si12 C51 H51A 109.5 . . ?
Si12 C51 H51B 109.5 . . ?
H51A C51 H51B 109.5 . . ?
Si12 C51 H51C 109.5 . . ?
H51A C51 H51C 109.5 . . ?
H51B C51 H51C 109.5 . . ?
Si12 C52 H52A 109.5 . . ?
Si12 C52 H52B 109.5 . . ?
H52A C52 H52B 109.5 . . ?
Si12 C52 H52C 109.5 . . ?
H52A C52 H52C 109.5 . . ?
H52B C52 H52C 109.5 . . ?
C53 O5 C56 109.5(9) . . ?
C53 O5 Sr2 125.1(7) . . ?
C56 O5 Sr2 125.3(7) . . ?
O5 C53 C54 105.2(12) . . ?
O5 C53 H53A 110.7 . . ?
C54 C53 H53A 110.7 . . ?
O5 C53 H53B 110.7 . . ?
C54 C53 H53B 110.7 . . ?
H53A C53 H53B 108.8 . . ?
C55 C54 C53 102.0(12) . . ?
C55 C54 H54A 111.4 . . ?
C53 C54 H54A 111.4 . . ?
C55 C54 H54B 111.4 . . ?
C53 C54 H54B 111.4 . . ?
H54A C54 H54B 109.2 . . ?
C56 C55 C54 104.8(12) . . ?
C56 C55 H55A 110.8 . . ?
C54 C55 H55A 110.8 . . ?
C56 C55 H55B 110.8 . . ?
C54 C55 H55B 110.8 . . ?
H55A C55 H55B 108.9 . . ?
O5 C56 C55 104.8(11) . . ?
O5 C56 H56A 110.8 . . ?
C55 C56 H56A 110.8 . . ?
O5 C56 H56B 110.8 . . ?
C55 C56 H56B 110.8 . . ?
H56A C56 H56B 108.9 . . ?
C57 O6 C60 109.1(9) . . ?
C57 O6 Sr2 124.3(7) . . ?
C60 O6 Sr2 126.6(7) . . ?
O6 C57 C58 105.2(11) . . ?
O6 C57 H57A 110.7 . . ?
C58 C57 H57A 110.7 . . ?
O6 C57 H57B 110.7 . . ?
C58 C57 H57B 110.7 . . ?
H57A C57 H57B 108.8 . . ?
C59 C58 C57 102.9(12) . . ?
C59 C58 H58A 111.2 . . ?
C57 C58 H58A 111.2 . . ?
C59 C58 H58B 111.2 . . ?
C57 C58 H58B 111.2 . . ?
H58A C58 H58B 109.1 . . ?
C58 C59 C60 102.5(10) . . ?
C58 C59 H59A 111.3 . . ?
C60 C59 H59A 111.3 . . ?
C58 C59 H59B 111.3 . . ?
C60 C59 H59B 111.3 . . ?
H59A C59 H59B 109.2 . . ?
O6 C60 C59 105.0(10) . . ?
O6 C60 H60A 110.8 . . ?
C59 C60 H60A 110.8 . . ?
O6 C60 H60B 110.8 . . ?
C59 C60 H60B 110.8 . . ?
H60A C60 H60B 108.8 . . ?
C61 O7 C64 107.7(9) . . ?
C61 O7 Sr2 127.8(8) . . ?
C64 O7 Sr2 120.4(8) . . ?
O7 C61 C62 106.0(11) . . ?
O7 C61 H61A 110.5 . . ?
C62 C61 H61A 110.5 . . ?
O7 C61 H61B 110.5 . . ?
C62 C61 H61B 110.5 . . ?
H61A C61 H61B 108.7 . . ?
C63 C62 C61 102.4(11) . . ?
C63 C62 H62A 111.3 . . ?
C61 C62 H62A 111.3 . . ?
C63 C62 H62B 111.3 . . ?
C61 C62 H62B 111.3 . . ?
H62A C62 H62B 109.2 . . ?
C64 C63 C62 103.0(12) . . ?
C64 C63 H63A 111.2 . . ?
C62 C63 H63A 111.2 . . ?
C64 C63 H63B 111.2 . . ?
C62 C63 H63B 111.2 . . ?
H63A C63 H63B 109.1 . . ?
C63 C64 O7 103.8(11) . . ?
C63 C64 H64A 111.0 . . ?
O7 C64 H64A 111.0 . . ?
C63 C64 H64B 111.0 . . ?
O7 C64 H64B 111.0 . . ?
H64A C64 H64B 109.0 . . ?
C68 O8 C65 107.5(11) . . ?
C68 O8 Sr2 127.5(8) . . ?
C65 O8 Sr2 125.0(7) . . ?
O8 C65 C66 106.9(13) . . ?
O8 C65 H65A 110.3 . . ?
C66 C65 H65A 110.3 . . ?
O8 C65 H65B 110.3 . . ?
C66 C65 H65B 110.3 . . ?
H65A C65 H65B 108.6 . . ?
C65 C66 C67 103.1(13) . . ?
C65 C66 H66A 111.1 . . ?
C67 C66 H66A 111.1 . . ?
C65 C66 H66B 111.1 . . ?
C67 C66 H66B 111.1 . . ?
H66A C66 H66B 109.1 . . ?
C68 C67 C66 101.4(16) . . ?
C68 C67 H67A 111.5 . . ?
C66 C67 H67A 111.5 . . ?
C68 C67 H67B 111.5 . . ?
C66 C67 H67B 111.5 . . ?
H67A C67 H67B 109.3 . . ?
O8 C68 C67 105.4(15) . . ?
O8 C68 H68A 110.7 . . ?
C67 C68 H68A 110.7 . . ?
O8 C68 H68B 110.7 . . ?
C67 C68 H68B 110.7 . . ?
H68A C68 H68B 108.8 . . ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Sr1 O4 2.507(8) . ?
Sr1 O2 2.518(8) . ?
Sr1 O3 2.529(15) . ?
Sr1 O1 2.532(8) . ?
Sr1 Sn2 3.4550(11) . ?
Sr1 Sn1 3.4600(11) . ?
Sn1 Si2 2.591(3) . ?
Sn1 Si3 2.593(3) . ?
Sn1 Si1 2.599(4) . ?
Si1 C2 1.857(15) . ?
Si1 C1 1.888(14) . ?
Si1 C3 1.970(15) . ?
C1 H1A 0.9800 . ?
C1 H1B 0.9800 . ?
C1 H1C 0.9800 . ?
C2 H2A 0.9800 . ?
C2 H2B 0.9800 . ?
C2 H2C 0.9800 . ?
C3 H3A 0.9800 . ?
C3 H3B 0.9800 . ?
C3 H3C 0.9800 . ?
Si2 C5 1.871(16) . ?
Si2 C6 1.887(16) . ?
Si2 C4 1.912(14) . ?
C4 H4A 0.9800 . ?
C4 H4B 0.9800 . ?
C4 H4C 0.9800 . ?
C5 H5A 0.9800 . ?
C5 H5B 0.9800 . ?
C5 H5C 0.9800 . ?
C6 H6A 0.9800 . ?
C6 H6B 0.9800 . ?
C6 H6C 0.9800 . ?
Si3 C9 1.871(17) . ?
Si3 C8 1.878(18) . ?
Si3 C7 1.890(14) . ?
C7 H7A 0.9800 . ?
C7 H7B 0.9800 . ?
C7 H7C 0.9800 . ?
C8 H8A 0.9800 . ?
C8 H8B 0.9800 . ?
C8 H8C 0.9800 . ?
C9 H9A 0.9800 . ?
C9 H9B 0.9800 . ?
C9 H9C 0.9800 . ?
Sn2 Si5 2.582(4) . ?
Sn2 Si4 2.582(3) . ?
Sn2 Si6 2.596(3) . ?
Si4 C11 1.855(18) . ?
Si4 C10 1.886(14) . ?
Si4 C12 1.91(2) . ?
C10 H10A 0.9800 . ?
C10 H10B 0.9800 . ?
C10 H10C 0.9800 . ?
C11 H11A 0.9800 . ?
C11 H11B 0.9800 . ?
C11 H11C 0.9800 . ?
C12 H12A 0.9800 . ?
C12 H12B 0.9800 . ?
C12 H12C 0.9800 . ?
Si5 C15 1.89(2) . ?
Si5 C13 1.901(15) . ?
Si5 C14 1.912(19) . ?
C13 H13A 0.9800 . ?
C13 H13B 0.9800 . ?
C13 H13C 0.9800 . ?
C14 H14A 0.9800 . ?
C14 H14B 0.9800 . ?
C14 H14C 0.9800 . ?
C15 H15A 0.9800 . ?
C15 H15B 0.9800 . ?
C15 H15C 0.9800 . ?
Si6 C18 1.88(2) . ?
Si6 C16 1.887(13) . ?
Si6 C17 1.888(15) . ?
C16 H16A 0.9800 . ?
C16 H16B 0.9800 . ?
C16 H16C 0.9800 . ?
C17 H17A 0.9800 . ?
C17 H17B 0.9800 . ?
C17 H17C 0.9800 . ?
C18 H18A 0.9800 . ?
C18 H18B 0.9800 . ?
C18 H18C 0.9800 . ?
O1 C19 1.45(2) . ?
O1 C22 1.47(2) . ?
C19 C20 1.48(2) . ?
C19 H19A 0.9900 . ?
C19 H19B 0.9900 . ?
C20 C21 1.51(3) . ?
C20 H20A 0.9900 . ?
C20 H20B 0.9900 . ?
C21 C22 1.38(3) . ?
C21 H21A 0.9900 . ?
C21 H21B 0.9900 . ?
C22 H22A 0.9900 . ?
C22 H22B 0.9900 . ?
O2 C26 1.455(17) . ?
O2 C23 1.481(16) . ?
C23 C24 1.50(2) . ?
C23 H23A 0.9900 . ?
C23 H23B 0.9900 . ?
C24 C25 1.47(3) . ?
C24 H24A 0.9900 . ?
C24 H24B 0.9900 . ?
C25 C26 1.50(2) . ?
C25 H25A 0.9900 . ?
C25 H25B 0.9900 . ?
C26 H26A 0.9900 . ?
C26 H26B 0.9900 . ?
O3 C30 1.28(3) . ?
O3 C27 1.50(4) . ?
C27 C28 1.44(3) . ?
C27 H27A 0.9900 . ?
C27 H27B 0.9900 . ?
C28 C29 1.36(3) . ?
C28 H28A 0.9900 . ?
C28 H28B 0.9900 . ?
C29 C30 1.37(2) . ?
C29 H29A 0.9900 . ?
C29 H29B 0.9900 . ?
C30 H30A 0.9900 . ?
C30 H30B 0.9900 . ?
O4 C34 1.36(2) . ?
O4 C31 1.519(19) . ?
C31 C32 1.52(3) . ?
C31 H31A 0.9900 . ?
C31 H31B 0.9900 . ?
C32 C33 1.51(3) . ?
C32 H32A 0.9900 . ?
C32 H32B 0.9900 . ?
C33 C34 1.57(2) . ?
C33 H33A 0.9900 . ?
C33 H33B 0.9900 . ?
C34 H34A 0.9900 . ?
C34 H34B 0.9900 . ?
Sr2 O7 2.507(8) . ?
Sr2 O5 2.509(8) . ?
Sr2 O6 2.527(7) . ?
Sr2 O8 2.544(8) . ?
Sr2 Sn4 3.4582(10) . ?
Sr2 Sn3 3.4585(10) . ?
Sn3 Si7 2.587(3) . ?
Sn3 Si9 2.598(3) . ?
Sn3 Si8 2.605(3) . ?
Si7 C35 1.872(15) . ?
Si7 C37 1.877(15) . ?
Si7 C36 1.885(14) . ?
C35 H35A 0.9800 . ?
C35 H35B 0.9800 . ?
C35 H35C 0.9800 . ?
C36 H36A 0.9800 . ?
C36 H36B 0.9800 . ?
C36 H36C 0.9800 . ?
C37 H37A 0.9800 . ?
C37 H37B 0.9800 . ?
C37 H37C 0.9800 . ?
Si8 C38 1.870(13) . ?
Si8 C40 1.887(12) . ?
Si8 C39 1.892(15) . ?
C38 H38A 0.9800 . ?
C38 H38B 0.9800 . ?
C38 H38C 0.9800 . ?
C39 H39A 0.9800 . ?
C39 H39B 0.9800 . ?
C39 H39C 0.9800 . ?
C40 H40A 0.9800 . ?
C40 H40B 0.9800 . ?
C40 H40C 0.9800 . ?
Si9 C41 1.877(15) . ?
Si9 C43 1.884(14) . ?
Si9 C42 1.901(15) . ?
C41 H41A 0.9800 . ?
C41 H41B 0.9800 . ?
C41 H41C 0.9800 . ?
C42 H42A 0.9800 . ?
C42 H42B 0.9800 . ?
C42 H42C 0.9800 . ?
C43 H43A 0.9800 . ?
C43 H43B 0.9800 . ?
C43 H43C 0.9800 . ?
Sn4 Si12 2.593(3) . ?
Sn4 Si11 2.596(3) . ?
Sn4 Si10 2.603(3) . ?
Si10 C44 1.868(14) . ?
Si10 C46 1.869(15) . ?
Si10 C45 1.879(15) . ?
C44 H44A 0.9800 . ?
C44 H44B 0.9800 . ?
C44 H44C 0.9800 . ?
C45 H45A 0.9800 . ?
C45 H45B 0.9800 . ?
C45 H45C 0.9800 . ?
C46 H46A 0.9800 . ?
C46 H46B 0.9800 . ?
C46 H46C 0.9800 . ?
Si11 C48 1.876(18) . ?
Si11 C47 1.892(17) . ?
Si11 C49 1.902(16) . ?
C47 H47A 0.9800 . ?
C47 H47B 0.9800 . ?
C47 H47C 0.9800 . ?
C48 H48A 0.9800 . ?
C48 H48B 0.9800 . ?
C48 H48C 0.9800 . ?
C49 H49A 0.9800 . ?
C49 H49B 0.9800 . ?
C49 H49C 0.9800 . ?
Si12 C51 1.876(16) . ?
Si12 C50 1.885(12) . ?
Si12 C52 1.917(13) . ?
C50 H50A 0.9800 . ?
C50 H50B 0.9800 . ?
C50 H50C 0.9800 . ?
C51 H51A 0.9800 . ?
C51 H51B 0.9800 . ?
C51 H51C 0.9800 . ?
C52 H52A 0.9800 . ?
C52 H52B 0.9800 . ?
C52 H52C 0.9800 . ?
O5 C53 1.418(16) . ?
O5 C56 1.469(16) . ?
C53 C54 1.508(19) . ?
C53 H53A 0.9900 . ?
C53 H53B 0.9900 . ?
C54 C55 1.49(2) . ?
C54 H54A 0.9900 . ?
C54 H54B 0.9900 . ?
C55 C56 1.47(2) . ?
C55 H55A 0.9900 . ?
C55 H55B 0.9900 . ?
C56 H56A 0.9900 . ?
C56 H56B 0.9900 . ?
O6 C57 1.428(13) . ?
O6 C60 1.443(14) . ?
C57 C58 1.497(18) . ?
C57 H57A 0.9900 . ?
C57 H57B 0.9900 . ?
C58 C59 1.46(2) . ?
C58 H58A 0.9900 . ?
C58 H58B 0.9900 . ?
C59 C60 1.537(17) . ?
C59 H59A 0.9900 . ?
C59 H59B 0.9900 . ?
C60 H60A 0.9900 . ?
C60 H60B 0.9900 . ?
O7 C61 1.427(17) . ?
O7 C64 1.527(17) . ?
C61 C62 1.521(18) . ?
C61 H61A 0.9900 . ?
C61 H61B 0.9900 . ?
C62 C63 1.51(2) . ?
C62 H62A 0.9900 . ?
C62 H62B 0.9900 . ?
C63 C64 1.442(19) . ?
C63 H63A 0.9900 . ?
C63 H63B 0.9900 . ?
C64 H64A 0.9900 . ?
C64 H64B 0.9900 . ?
O8 C68 1.434(17) . ?
O8 C65 1.460(19) . ?
C65 C66 1.48(2) . ?
C65 H65A 0.9900 . ?
C65 H65B 0.9900 . ?
C66 C67 1.51(2) . ?
C66 H66A 0.9900 . ?
C66 H66B 0.9900 . ?
C67 C68 1.49(3) . ?
C67 H67A 0.9900 . ?
C67 H67B 0.9900 . ?
C68 H68A 0.9900 . ?
C68 H68B 0.9900 . ?
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C22 O1 C19 C20 -17(2) . . . . ?
Sr1 O1 C19 C20 164.7(12) . . . . ?
O1 C19 C20 C21 24(2) . . . . ?
C19 C20 C21 C22 -23(3) . . . . ?
C20 C21 C22 O1 12(3) . . . . ?
C19 O1 C22 C21 3(2) . . . . ?
Sr1 O1 C22 C21 -178.8(14) . . . . ?
C26 O2 C23 C24 -16.3(17) . . . . ?
Sr1 O2 C23 C24 160.7(9) . . . . ?
O2 C23 C24 C25 32.2(16) . . . . ?
C23 C24 C25 C26 -36.0(18) . . . . ?
C23 O2 C26 C25 -6(2) . . . . ?
Sr1 O2 C26 C25 177.3(11) . . . . ?
C24 C25 C26 O2 26(2) . . . . ?
C30 O3 C27 C28 -5(3) . . . . ?
Sr1 O3 C27 C28 165(2) . . . . ?
O3 C27 C28 C29 5(4) . . . . ?
C27 C28 C29 C30 -2(4) . . . . ?
C27 O3 C30 C29 5(4) . . . . ?
Sr1 O3 C30 C29 -164(2) . . . . ?
C28 C29 C30 O3 -2(5) . . . . ?
C34 O4 C31 C32 8.6(18) . . . . ?
Sr1 O4 C31 C32 -161.3(9) . . . . ?
O4 C31 C32 C33 -36.1(17) . . . . ?
C31 C32 C33 C34 47.2(18) . . . . ?
C31 O4 C34 C33 22(2) . . . . ?
Sr1 O4 C34 C33 -168.4(13) . . . . ?
C32 C33 C34 O4 -43(2) . . . . ?
C56 O5 C53 C54 17.2(16) . . . . ?
Sr2 O5 C53 C54 -163.2(9) . . . . ?
O5 C53 C54 C55 -33.1(16) . . . . ?
C53 C54 C55 C56 36.7(17) . . . . ?
C53 O5 C56 C55 5.8(16) . . . . ?
Sr2 O5 C56 C55 -173.8(9) . . . . ?
C54 C55 C56 O5 -26.9(17) . . . . ?
C60 O6 C57 C58 -18.8(14) . . . . ?
Sr2 O6 C57 C58 160.0(8) . . . . ?
O6 C57 C58 C59 36.2(14) . . . . ?
C57 C58 C59 C60 -38.2(14) . . . . ?
C57 O6 C60 C59 -5.1(13) . . . . ?
Sr2 O6 C60 C59 176.1(7) . . . . ?
C58 C59 C60 O6 27.4(14) . . . . ?
C64 O7 C61 C62 -3.8(14) . . . . ?
Sr2 O7 C61 C62 153.3(9) . . . . ?
O7 C61 C62 C63 26.7(14) . . . . ?
C61 C62 C63 C64 -40.5(14) . . . . ?
C62 C63 C64 O7 38.2(14) . . . . ?
C61 O7 C64 C63 -21.9(15) . . . . ?
Sr2 O7 C64 C63 179.0(8) . . . . ?
C68 O8 C65 C66 2(2) . . . . ?
Sr2 O8 C65 C66 -178.0(14) . . . . ?
O8 C65 C66 C67 -25(3) . . . . ?
C65 C66 C67 C68 38(3) . . . . ?
C65 O8 C68 C67 22(2) . . . . ?
Sr2 O8 C68 C67 -157.6(12) . . . . ?
C66 C67 C68 O8 -37(2) . . . . ?
